Molecule

ID:66958

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃
Molecular Mass
177.2462
Exact Mass
177.1265975
Charge
0
InChI
InChI=1S/C10H15N3/c1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h2-3,8,11H,4-7H2,1H3
InChIKey
QDRKPHJFMGUXPN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(nc1)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)c1ccc(cn1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6593183
LogD (pH = 7.4)
0.017674923
Log P
1.4355679
Molar Refractivity
54.4398
Polarizability
20.500105
Polar Surface Area
28.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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